Molecule ID: mol7976

SMILES: CSc1nc2cnc(Cl)cc2[nH]1

InChI: InChI=1S/C7H6ClN3S/c1-12-7-10-4-2-6(8)9-3-5(4)11-7/h2-3H,1H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.32 IUPAC digitized pKa 1 » 0
8.75 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization